ZD9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C1 | doub | 1.22Å | 1.22Å | |
| C6 | C1 | sing | 1.47Å | 1.52Å | |
| C1 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C3 | sing | 1.36Å | 1.38Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | N4 | doub | 1.30Å | 1.29Å | |
| C3 | C39 | sing | 1.51Å | 1.51Å | |
| C5 | N4 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | C9 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C10 | C38 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | C12 | sing | 1.46Å | 1.36Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | N13 | sing | 1.36Å | 1.20Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C15 | C14 | trip | 1.17Å | 0.89Å | |
| C16 | C15 | sing | 1.47Å | 1.47Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C1 | C6 | 119.3° | 121.3° |
| O7 | C1 | N2 | 122.7° | 121.3° |
| C6 | C1 | N2 | 118.1° | 117.4° |
| C1 | C6 | C5 | 115.5° | 118.0° |
| C1 | C6 | C8 | 124.2° | 121.9° |
| C1 | N2 | C3 | 120.6° | 120.6° |
| C1 | N2 | HN2 | 119.7° | 119.7° |
| C3 | N2 | HN2 | 119.7° | 119.7° |
| N2 | C3 | N4 | 122.4° | 123.4° |
| N2 | C3 | C39 | 119.2° | 118.3° |
| N4 | C3 | C39 | 118.5° | 118.3° |
| C3 | N4 | C5 | 123.7° | 121.6° |
| C3 | C39 | H39 | 109.5° | 109.5° |
| C3 | C39 | H39A | 109.4° | 109.5° |
| C3 | C39 | H39B | 109.5° | 109.5° |
| N4 | C5 | C6 | 119.8° | 119.0° |
| N4 | C5 | C11 | 120.7° | 121.7° |
| C6 | C5 | C11 | 119.4° | 119.3° |
| C5 | C6 | C8 | 120.4° | 120.0° |
| C5 | C11 | C10 | 120.8° | 119.7° |
| C5 | C11 | H11 | 119.6° | 120.1° |
| C6 | C8 | C9 | 120.5° | 119.5° |
| C6 | C8 | H8 | 119.7° | 120.2° |
| C9 | C8 | H8 | 119.7° | 120.3° |
| C8 | C9 | C12 | 117.5° | 119.7° |
| C8 | C9 | C10 | 119.3° | 120.6° |
| C12 | C9 | C10 | 123.2° | 119.7° |
| C9 | C12 | N13 | 109.9° | 109.5° |
| C9 | C12 | H12 | 109.3° | 109.5° |
| C9 | C12 | H12A | 109.3° | 109.5° |
| C9 | C10 | C38 | 122.4° | 119.6° |
| C9 | C10 | C11 | 119.5° | 120.8° |
| C38 | C10 | C11 | 118.1° | 119.6° |
| C10 | C38 | H38 | 109.5° | 109.5° |
| C10 | C38 | H38A | 109.5° | 109.4° |
| C10 | C38 | H38B | 109.5° | 109.5° |
| C10 | C11 | H11 | 119.6° | 120.2° |
| N13 | C12 | H12 | 109.3° | 109.5° |
| N13 | C12 | H12A | 109.4° | 109.5° |
| C12 | N13 | C14 | 107.6° | 120.0° |
| C12 | N13 | HN13 | 110.1° | 120.0° |
| H12 | C12 | H12A | 109.6° | 109.4° |
| C14 | N13 | HN13 | 110.1° | 120.0° |
| N13 | C14 | C15 | 158.9° | 180.0° |
| C14 | C15 | C16 | 164.6° | 180.0° |
| C15 | C16 | H16 | 109.5° | 109.4° |
| C15 | C16 | H16A | 109.4° | 109.5° |
| C15 | C16 | H16B | 109.4° | 109.4° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.4° | 109.5° |
| H39 | C39 | H39A | 109.5° | 109.5° |
| H39 | C39 | H39B | 109.4° | 109.4° |
| H39A | C39 | H39B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C1 | C6 | N2 | 179.9° | 179.7° |
| O7 | C1 | N2 | C3 | 180.0° | 179.7° |
| O7 | C1 | N2 | HN2 | 0.0° | 0.3° |
| O7 | C1 | C6 | C5 | 179.9° | 179.7° |
| O7 | C1 | C6 | C8 | 0.3° | 0.3° |
| C6 | C1 | N2 | C3 | 0.0° | 0.0° |
| C6 | C1 | N2 | HN2 | 180.0° | 180.0° |
| C1 | C6 | C5 | N4 | 0.0° | 0.0° |
| C1 | C6 | C5 | C8 | 179.8° | 180.0° |
| C1 | C6 | C5 | C11 | 179.9° | 180.0° |
| C1 | C6 | C8 | C9 | 180.0° | 180.0° |
| C1 | C6 | C8 | H8 | 0.0° | 0.0° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C3 | N4 | 0.2° | 0.0° |
| C1 | N2 | C3 | C39 | 179.9° | 180.0° |
| N2 | C1 | C6 | C5 | 0.1° | 0.0° |
| N2 | C1 | C6 | C8 | 179.7° | 180.0° |
| N2 | C3 | N4 | C39 | 179.9° | 180.0° |
| N2 | C3 | N4 | C5 | 0.3° | 0.0° |
| N2 | C3 | C39 | H39 | 179.9° | 90.0° |
| N2 | C3 | C39 | H39A | 59.9° | 150.0° |
| N2 | C3 | C39 | H39B | 60.1° | 30.0° |
| HN2 | N2 | C3 | N4 | 179.8° | 179.9° |
| HN2 | N2 | C3 | C39 | 0.1° | 0.1° |
| C3 | N4 | C5 | C6 | 0.1° | 0.0° |
| C3 | N4 | C5 | C11 | 180.0° | 180.0° |
| N4 | C3 | C39 | H39 | 0.0° | 90.0° |
| N4 | C3 | C39 | H39A | 120.0° | 30.0° |
| N4 | C3 | C39 | H39B | 120.0° | 150.0° |
| C39 | C3 | N4 | C5 | 179.9° | 180.0° |
| C3 | C39 | H39 | H39A | 120.0° | 120.0° |
| C3 | C39 | H39 | H39B | 120.0° | 120.0° |
| C3 | C39 | H39A | H39B | 120.0° | 120.0° |
| N4 | C5 | C6 | C11 | 179.9° | 180.0° |
| N4 | C5 | C6 | C8 | 179.8° | 180.0° |
| N4 | C5 | C11 | C10 | 179.9° | 179.9° |
| N4 | C5 | C11 | H11 | 0.1° | 0.0° |
| C5 | C6 | C8 | C9 | 0.2° | 0.1° |
| C5 | C6 | C8 | H8 | 179.8° | 180.0° |
| C6 | C5 | C11 | C10 | 0.2° | 0.0° |
| C6 | C5 | C11 | H11 | 179.8° | 180.0° |
| C11 | C5 | C6 | C8 | 0.3° | 0.0° |
| C5 | C11 | C10 | C9 | 0.0° | 0.1° |
| C5 | C11 | C10 | C38 | 180.0° | 180.0° |
| C5 | C11 | C10 | H11 | 180.0° | 179.9° |
| C6 | C8 | C9 | H8 | 180.0° | 180.0° |
| C6 | C8 | C9 | C12 | 180.0° | 180.0° |
| C6 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C9 | C12 | C10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C38 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C12 | N13 | 106.1° | 100.0° |
| C8 | C9 | C12 | H12 | 133.9° | 20.0° |
| C8 | C9 | C12 | H12A | 13.9° | 139.9° |
| H8 | C8 | C9 | C12 | 0.0° | 0.0° |
| H8 | C8 | C9 | C10 | 180.0° | 180.0° |
| C12 | C9 | C10 | C38 | 0.1° | 0.0° |
| C12 | C9 | C10 | C11 | 179.9° | 180.0° |
| C9 | C12 | N13 | H12 | 120.0° | 120.0° |
| C9 | C12 | N13 | H12A | 120.0° | 120.1° |
| C9 | C12 | H12 | H12A | 119.8° | 120.0° |
| C9 | C12 | N13 | C14 | 173.1° | 180.0° |
| C9 | C12 | N13 | HN13 | 53.1° | 0.0° |
| C9 | C10 | C38 | C11 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | C12 | N13 | 73.9° | 80.0° |
| C10 | C9 | C12 | H12 | 46.1° | 160.0° |
| C10 | C9 | C12 | H12A | 166.1° | 40.1° |
| C9 | C10 | C38 | H38 | 90.0° | 90.1° |
| C9 | C10 | C38 | H38A | 150.0° | 150.0° |
| C9 | C10 | C38 | H38B | 30.0° | 30.0° |
| C38 | C10 | C11 | H11 | 0.0° | 0.0° |
| C10 | C38 | H38 | H38A | 120.0° | 120.0° |
| C10 | C38 | H38 | H38B | 120.0° | 120.0° |
| C10 | C38 | H38A | H38B | 120.0° | 120.0° |
| C11 | C10 | C38 | H38 | 90.0° | 89.9° |
| C11 | C10 | C38 | H38A | 30.0° | 30.1° |
| C11 | C10 | C38 | H38B | 150.0° | 150.0° |
| N13 | C12 | H12 | H12A | 119.9° | 120.0° |
| C12 | N13 | C14 | HN13 | 120.0° | 180.0° |
| C12 | N13 | C14 | C15 | 172.2° | 0.0° |
| H12 | C12 | N13 | C14 | 66.9° | 60.0° |
| H12 | C12 | N13 | HN13 | 173.1° | 120.1° |
| H12A | C12 | N13 | C14 | 53.1° | 59.9° |
| H12A | C12 | N13 | HN13 | 66.9° | 120.0° |
| N13 | C14 | C15 | C16 | 44.8° | 118.5° |
| HN13 | N13 | C14 | C15 | 52.3° | 180.0° |
| C14 | C15 | C16 | H16 | 180.0° | 61.6° |
| C14 | C15 | C16 | H16A | 60.0° | 58.5° |
| C14 | C15 | C16 | H16B | 60.0° | 178.5° |
| C15 | C16 | H16 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16B | 120.0° | 119.9° |
| C15 | C16 | H16A | H16B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H39 | C39 | H39A | H39B | 120.0° | 119.9° |
